diphenyl carbonate;ethoxyethane

C17H20O4 — CID 67230205

IUPACdiphenyl carbonate;ethoxyethane
SMILESCCOCC.O=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H10O3.C4H10O/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;3-4H2,1-2H3
InChIKeyAWUFJAWOBNPAAK-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.31
Rot. Bonds4

About diphenyl carbonate;ethoxyethane

diphenyl carbonate;ethoxyethane (PubChem CID 67230205) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is diphenyl carbonate;ethoxyethane.

Molecular Properties

Compound Namediphenyl carbonate;ethoxyethane
PubChem CID67230205
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Namediphenyl carbonate;ethoxyethane
SMILESCCOCC.O=C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H10O3.C4H10O/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;3-4H2,1-2H3
InChIKeyAWUFJAWOBNPAAK-UHFFFAOYSA-N
XLogP4.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)ethyl phenyl carbonate
CID 118088520
diphenyl carbonate;ethane;molecular iodine
CID 159087497
diphenyl carbonate;phenyl acetate
CID 90936233
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
buta-1,3-diene;diphenyl carbonate
CID 87173366
phenyl propanoate
CID 161258381
ethane;methyl phenyl carbonate
CID 91113838
[2-(2-ethoxyethoxy)-1-phenylethyl] phenyl carbonate
CID 118088751
ethoxybenzene;ethoxyethane
CID 67764259
CID 161494205
CID 161494205

Frequently Asked Questions

What is the IUPAC name of diphenyl carbonate;ethoxyethane?
The IUPAC name of diphenyl carbonate;ethoxyethane (CID 67230205) is diphenyl carbonate;ethoxyethane.
What is the SMILES notation for diphenyl carbonate;ethoxyethane?
The canonical SMILES for diphenyl carbonate;ethoxyethane is CCOCC.O=C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl carbonate;ethoxyethane?
The InChIKey is AWUFJAWOBNPAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3.C4H10O/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-3-5-4-2/h1-10H;3-4H2,1-2H3.
What are the key properties of diphenyl carbonate;ethoxyethane?
diphenyl carbonate;ethoxyethane has a molecular weight of 288.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl carbonate;ethoxyethane is sourced from PubChem (CID 67230205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).